2-[4-[(4-chlorophenyl)methylamino]phenyl]-1-piperidin-1-ylethanone

C20H23ClN2O — CID 170159866

IUPAC2-[4-[(4-chlorophenyl)methylamino]phenyl]-1-piperidin-1-ylethanone
SMILESO=C(Cc1ccc(NCc2ccc(Cl)cc2)cc1)N1CCCCC1
InChIInChI=1S/C20H23ClN2O/c21-18-8-4-17(5-9-18)15-22-19-10-6-16(7-11-19)14-20(24)23-12-2-1-3-13-23/h4-11,22H,1-3,12-15H2
InChIKeyUSXTWGHSDUBQQU-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.51
Rot. Bonds5

About 2-[4-[(4-chlorophenyl)methylamino]phenyl]-1-piperidin-1-ylethanone

2-[4-[(4-chlorophenyl)methylamino]phenyl]-1-piperidin-1-ylethanone (PubChem CID 170159866) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methylamino]phenyl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methylamino]phenyl]-1-piperidin-1-ylethanone
PubChem CID170159866
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC Name2-[4-[(4-chlorophenyl)methylamino]phenyl]-1-piperidin-1-ylethanone
SMILESO=C(Cc1ccc(NCc2ccc(Cl)cc2)cc1)N1CCCCC1
InChIInChI=1S/C20H23ClN2O/c21-18-8-4-17(5-9-18)15-22-19-10-6-16(7-11-19)14-20(24)23-12-2-1-3-13-23/h4-11,22H,1-3,12-15H2
InChIKeyUSXTWGHSDUBQQU-UHFFFAOYSA-N
XLogP4.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(benzylamino)phenyl]-1-pyrrolidin-1-ylethanone
CID 42852689
2-[4-[(4-chlorophenyl)methylamino]phenyl]-1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]ethanone
CID 170160022
(2-oxo-2-piperidin-1-ylethyl) 2-(4-chlorophenyl)acetate
CID 23738201
1-[4-[2-(4-chlorophenyl)acetyl]-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone
CID 110359111
4-[2-(4-chlorophenyl)acetyl]-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110811576
2-[4-[(3-chloro-4-methylphenyl)methylamino]phenyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 126803535
4-[2-(4-chlorophenyl)acetyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811573
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 108559585
1-[(4-chlorophenyl)methyl]-3-[4-(2-oxo-2-piperazin-1-ylethyl)phenyl]urea;methanol
CID 156825295
N-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazine-1-carboxamide
CID 110810778
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 100792364
1-benzyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]urea
CID 38953906

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)methylamino]phenyl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-[(4-chlorophenyl)methylamino]phenyl]-1-piperidin-1-ylethanone (CID 170159866) is 2-[4-[(4-chlorophenyl)methylamino]phenyl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methylamino]phenyl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methylamino]phenyl]-1-piperidin-1-ylethanone is O=C(Cc1ccc(NCc2ccc(Cl)cc2)cc1)N1CCCCC1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methylamino]phenyl]-1-piperidin-1-ylethanone?
The InChIKey is USXTWGHSDUBQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c21-18-8-4-17(5-9-18)15-22-19-10-6-16(7-11-19)14-20(24)23-12-2-1-3-13-23/h4-11,22H,1-3,12-15H2.
What are the key properties of 2-[4-[(4-chlorophenyl)methylamino]phenyl]-1-piperidin-1-ylethanone?
2-[4-[(4-chlorophenyl)methylamino]phenyl]-1-piperidin-1-ylethanone has a molecular weight of 342.87 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methylamino]phenyl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 170159866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).